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139029-73-5 | 2-Quinolinecarboxylic acid, 8-(benzoyloxy)-
CAS No: 139029-73-5 Catalog No: AG001A1F MDL No:
Product Description
Catalog Number:
AG001A1F
Chemical Name:
2-Quinolinecarboxylic acid, 8-(benzoyloxy)-
CAS Number:
139029-73-5
Molecular Formula:
C17H11NO4
Molecular Weight:
293.2735
IUPAC Name:
8-benzoyloxyquinoline-2-carboxylic acid
InChI:
InChI=1S/C17H11NO4/c19-16(20)13-10-9-11-7-4-8-14(15(11)18-13)22-17(21)12-5-2-1-3-6-12/h1-10H,(H,19,20)
InChI Key:
WCOZMIHSYBMMRG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1cccc2c1nc(cc2)C(=O)O
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.069g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.278g/mol
Monoisotopic Mass:
293.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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